SCHEMBL19359153

SCHEMBL19359153

NC(=O)c1ccc(C2=CCC(N)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.42
GABRR1 P24046 1/20 0.41
MAP4K4 O95819 1/20 0.40
HTR1B P28222 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PARP15 Q460N3 4/20 0.38
PARP2 Q9UGN5 2/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ESR2 Q92731 1/20 0.38
HTR1D P28221 4/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19359225 1.00 PARP10 (0.42) PARP10GABRR1MAP4K4HTR1BCA12
SCHEMBL32677505 0.81 CA1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL19359443 0.77 HTR1D (0.44) HTR1DKMT2AHTR1AHTR1E
SCHEMBL19359558 0.77 HTR1D (0.44) HTR1DKMT2AHTR1AHTR1E
SCHEMBL5151774 0.75 SIGMAR1 (0.43) ESR2KMT2A
SCHEMBL19808113 0.75 ESR2 (0.39) ESR2
SCHEMBL17548224 0.75 HTR2C (0.43) CA12CA2CA9ESR2ALDH1A1
SCHEMBL14336758 0.74 PLAU (0.41) ESR2
SCHEMBL14755669 0.73 PARP10 (0.44) PARP10PARP15PARP2
SCHEMBL31489016 0.72 CA1 (0.41) CA12CA1CA2CA9CA14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 PARP10 978/4885GABRR1 3189/4885MAP4K4 1202/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 PARP10 978/4885GABRR1 3189/4885MAP4K4 1202/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.